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89217-39-0 | 9H-Xanthene-3-carboxylic acid, 7-[2-(2-hydroxyethoxy)ethoxy]-9-oxo-
CAS No: 89217-39-0 Catalog No: AG0043PY MDL No:
Product Description
Catalog Number:
AG0043PY
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-[2-(2-hydroxyethoxy)ethoxy]-9-oxo-
CAS Number:
89217-39-0
Molecular Formula:
C18H16O7
Molecular Weight:
344.3154
IUPAC Name:
7-[2-(2-hydroxyethoxy)ethoxy]-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C18H16O7/c19-5-6-23-7-8-24-12-2-4-15-14(10-12)17(20)13-3-1-11(18(21)22)9-16(13)25-15/h1-4,9-10,19H,5-8H2,(H,21,22)
InChI Key:
HTVRLMHAADHYKV-UHFFFAOYSA-N
SMILES:
OCCOCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.319g/mol
Monoisotopic Mass:
344.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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